6ENN

Tryptophan Repressor TrpR from E.coli variant T44L T81M N87G S88Y with Indole-3-acetic acid as ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	54.577, 63.185, 64.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.772 - 1.170
R-factor	0.1499
Rwork	0.148
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tro
RMSD bond length	0.010
RMSD bond angle	1.103
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.772	41.772	1.200
High resolution limit [Å]	1.170	5.230	1.170
Rmerge	0.051	0.037	0.635
Rmeas	0.056	0.041	0.733
Number of reflections	75208	960	4663
<I/σ(I)>	16.28	41.14	2.05
Completeness [%]	98.0	99.3	83.7
Redundancy	5.836	6.145	3.806
CC(1/2)	0.999	0.998	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M MMT buffer pH 5 25 % PEG 1500